7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H22ClF3N4O2 — CID 53467345

IUPAC7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H22ClF3N4O2/c1-2-21-23(33-12-11-18(26)13-22(33)32-21)24(34)31-15-16-3-7-19(8-4-16)30-14-17-5-9-20(10-6-17)35-25(27,28)29/h3-13,30H,2,14-15H2,1H3,(H,31,34)
InChIKeyLQBUCUVCKVZIJA-UHFFFAOYSA-N
MW502.92 g/mol
LogP5.99
Rot. Bonds8

About 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53467345) has the molecular formula C25H22ClF3N4O2 and a molecular weight of 502.92 g/mol. Its IUPAC name is 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53467345
Molecular FormulaC25H22ClF3N4O2
Molecular Weight502.92 g/mol
Exact Mass502.14
IUPAC Name7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H22ClF3N4O2/c1-2-21-23(33-12-11-18(26)13-22(33)32-21)24(34)31-15-16-3-7-19(8-4-16)30-14-17-5-9-20(10-6-17)35-25(27,28)29/h3-13,30H,2,14-15H2,1H3,(H,31,34)
InChIKeyLQBUCUVCKVZIJA-UHFFFAOYSA-N
XLogP5.99
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53467345) is 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LQBUCUVCKVZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N4O2/c1-2-21-23(33-12-11-18(26)13-22(33)32-21)24(34)31-15-16-3-7-19(8-4-16)30-14-17-5-9-20(10-6-17)35-25(27,28)29/h3-13,30H,2,14-15H2,1H3,(H,31,34).
What are the key properties of 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 502.92 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53467345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).